SCHEMBL13244708

SCHEMBL13244708

O=C(NC1CCN(O)C1=O)c1ccc(C#Cc2ccc(CN3CCOCC3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.53
▸ MMP13 P45452 7/20 0.52
▸ MMP2 P08253 6/20 0.52
▸ MMP8 P22894 6/20 0.52
▸ MMP9 P14780 5/20 0.52
▸ HIF1A Q16665 3/20 0.49
▸ EPAS1 Q99814 3/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13244742 0.94 KDM4E (0.59) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13984525 0.91 KDM4E (0.61) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13244710 0.85 KDM4E (0.63) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13267470 0.84 KDM4E (0.62) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL19262713 0.79 DDB1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL13267472 0.76 KDM4E (0.65) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3017442 0.75 KMT2A (0.65) KDM4ENPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL154383 0.75 DDB1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MMP2
SCHEMBL255145 0.75 MMP13 (0.57) ALDH1A1MMP13MMP2MMP8MMP9
SCHEMBL27805648 0.74 MMP13 (0.56) MMP13MMP2MMP8MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 — — US disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 — — EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 — — EP disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
US-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 — — US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 KDM4E 4299/4885NPC1 299/4885RAB9A 509/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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